SCHEMBL2371652

SCHEMBL2371652

COC(=O)c1nc(O)c(C(F)(F)F)cc1-n1c(C)ccc1C.COC(=O)c1nc(OC)c(C(F)(F)F)cc1-n1c(C)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.39
MYC P01106 4/20 0.38
RBP4 P02753 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOTUM Q6P988 1/20 0.34
MAPK3 P27361 1/20 0.33
LRRK2 Q5S007 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
MAPK1 P28482 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2381481 0.94 CFTR (0.42) CFTRMYCRBP4ALDH1A1KDM4E
SCHEMBL2383885 0.93 MYC (0.43) CFTRMYCRBP4ALDH1A1KDM4E
SCHEMBL2372480 0.90 CFTR (0.40) CFTRMYCRBP4ALDH1A1KDM4E
SCHEMBL2372346 0.89 CFTR (0.42) CFTRMYCRBP4ALDH1A1KDM4E
SCHEMBL2373031 0.83 MYC (0.44) CFTRMYCHSD17B10
SCHEMBL2372871 0.83 CFTR (0.45) CFTRMYCRBP4ALDH1A1KDM4E
SCHEMBL14786282 0.81 MYC (0.40) CFTRMYCRBP4ALDH1A1KDM4E
SCHEMBL2372372 0.81 MYC (0.43) CFTRMYCRBP4ALDH1A1KDM4E
SCHEMBL29699381 0.80 CFTR (0.45) CFTRMYCRBP4ALDH1A1KDM4E
SCHEMBL2372633 0.80 CFTR (0.45) CFTRMYCRBP4ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3980121-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF, COPD, AND BRONCHIECTASIS Novartis AG (CH) 2022-04-13 EP disclosed
WO-2020250116-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF, COPD, AND BRONCHIECTASIS NOVARTIS AG (CH) 2020-12-17 WO disclosed
EP-2547656-B1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2015-09-30 EP disclosed
WO-2013038378-A1 Pyridine amide derivatives NOVARTIS AG (CH) 2013-03-21 WO disclosed
EP-2547656-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF Novartis AG (CH) 2013-01-23 EP disclosed
WO-2011113894-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2011-09-22 WO disclosed